SCHEMBL6321815

SCHEMBL6321815

CC(=O)Nc1ccc(C(CC(C)NC[C@H](O)COc2ccccc2)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
ADRB1 P08588 5/20 0.65
ADRB3 P13945 5/20 0.65
ADRB2 P07550 4/20 0.65
CYP2D6 P10635 2/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
OPRK1 P41145 1/20 0.65
CYP1A2 P05177 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6321825 1.00 MAPT (0.66) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6327364 0.90 ADRB1 (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6327363 0.90 ADRB1 (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL7081767 0.89 MAPT (0.55) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6323886 0.89 ADRB1 (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL6323884 0.89 ADRB1 (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL7081769 0.89 MAPT (0.55) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6328267 0.86 MAPT (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
Hydrochloric Acid SCHEMBL6328272 0.86 MAPT (0.53) MAPTADRB1ADRB3ADRB2CYP2D6
SCHEMBL7615176 0.84 MAPT (0.72) MAPTADRB1ADRB3ADRB2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906075-B2 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORP. (US) 2005-06-14 US disclosed
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2005-02-24 US disclosed
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues NEUROGEN CORPORATION 2003-11-20 US disclosed
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2003-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050043371-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MAPT 1461/4885ADRB1 1/4885ADRB3 2/4885
US-20030216390-A1 Melanin concentrating hormone receptor ligands: substituted benzoimidazole analogues MCHR1, MCHR2, MC1R MAPT 2060/4885ADRB1 205/4885ADRB3 140/4885
US-20030181726-A1 Aminoalcohol derivatives and their use as beta 3 adrenergic agonists ADRB1, ADRB3, ADRB2 MAPT 1674/4885ADRB1 1/4885ADRB3 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.